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PubMed code 28197309

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210127
PNG
(CHEMBL3884851)
Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
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n/an/a 2n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210072
PNG
(CHEMBL3884830)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
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n/an/a 2.40n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210075
PNG
(CHEMBL3883788)
Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)
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n/an/a 4.80n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210073
PNG
(CHEMBL3883461)
Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-
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n/an/a 42n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210074
PNG
(CHEMBL3883423)
Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+
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n/an/a 153n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210129
PNG
(CHEMBL3885334)
Show SMILES Cc1nc(N)cc2OCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10|
Show InChI InChI=1S/C28H31N7O3/c1-20-24-16-30-28(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)13-25(22)37-11-4-2-3-5-12-38-26(24)14-27(29)33-20/h2-3,6-10,13-15,19H,4-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)/b3-2+
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n/an/a 1.21E+3n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210130
PNG
(CHEMBL3885037)
Show SMILES Cc1nc(N)cc2OCC\C=C/CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Show InChI InChI=1S/C28H31N7O3/c1-20-24-16-30-28(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)13-25(22)37-11-4-2-3-5-12-38-26(24)14-27(29)33-20/h2-3,6-10,13-15,19H,4-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)/b3-2-
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n/an/a 1.57E+3n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50210127
PNG
(CHEMBL3884851)
Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
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n/an/a 3.61E+3n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210076
PNG
(CHEMBL3884030)
Show SMILES Cc1nc(N)cc2OCCCCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
Show InChI InChI=1S/C28H33N7O3/c1-20-24-16-30-28(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)13-25(22)37-11-4-2-3-5-12-38-26(24)14-27(29)33-20/h6-10,13-15,19H,2-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)
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n/an/a 8.31E+3n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50210074
PNG
(CHEMBL3883423)
Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+
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n/an/a 9.97E+3n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50210075
PNG
(CHEMBL3883788)
Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50210074
PNG
(CHEMBL3883423)
Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+
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n/an/a 1.27E+4n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50210075
PNG
(CHEMBL3883788)
Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)
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n/an/a 2.14E+4n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50210073
PNG
(CHEMBL3883461)
Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-
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n/an/a 4.09E+4n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210077
PNG
(CHEMBL3883550)
Show SMILES Cc1cc(N)nc2OCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10|
Show InChI InChI=1S/C28H31N7O3/c1-20-13-26(29)33-28-24(20)16-30-27(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)14-25(22)37-11-4-2-3-5-12-38-28/h2-3,6-10,13-15,19H,4-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)/b3-2+
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n/an/a 5.32E+4n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50210072
PNG
(CHEMBL3884830)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
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n/an/a 1.06E+5n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50210073
PNG
(CHEMBL3883461)
Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50210073
PNG
(CHEMBL3883461)
Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50210074
PNG
(CHEMBL3883423)
Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50210127
PNG
(CHEMBL3884851)
Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50210075
PNG
(CHEMBL3883788)
Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50210127
PNG
(CHEMBL3884851)
Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50210075
PNG
(CHEMBL3883788)
Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50210073
PNG
(CHEMBL3883461)
Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50210074
PNG
(CHEMBL3883423)
Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50210074
PNG
(CHEMBL3883423)
Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50210074
PNG
(CHEMBL3883423)
Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50210075
PNG
(CHEMBL3883788)
Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50210075
PNG
(CHEMBL3883788)
Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50210073
PNG
(CHEMBL3883461)
Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50210073
PNG
(CHEMBL3883461)
Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50210127
PNG
(CHEMBL3884851)
Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50210127
PNG
(CHEMBL3884851)
Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50210127
PNG
(CHEMBL3884851)
Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10|
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50210072
PNG
(CHEMBL3884830)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50210072
PNG
(CHEMBL3884830)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50210072
PNG
(CHEMBL3884830)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50210072
PNG
(CHEMBL3884830)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50210072
PNG
(CHEMBL3884830)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50210128
PNG
(CHEMBL3884218)
Show SMILES Cc1cc(N)nc2OCC\C=C/CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|
Show InChI InChI=1S/C28H31N7O3/c1-20-13-26(29)33-28-24(20)16-30-27(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)14-25(22)37-11-4-2-3-5-12-38-28/h2-3,6-10,13-15,19H,4-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)/b3-2-
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Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%